[(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate

C11H19NO2 — CID 10262119

IUPAC[(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate
SMILESC=C/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H19NO2/c1-6-7-8-14-11(13)12(9(2)3)10(4)5/h6-10H,1H2,2-5H3/b8-7-
InChIKeyYNTDLYYDJSCZLW-FPLPWBNLSA-N
MW197.28 g/mol
LogP2.94
Rot. Bonds4

About [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate

[(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate (PubChem CID 10262119) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate
PubChem CID10262119
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate
SMILESC=C/C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H19NO2/c1-6-7-8-14-11(13)12(9(2)3)10(4)5/h6-10H,1H2,2-5H3/b8-7-
InChIKeyYNTDLYYDJSCZLW-FPLPWBNLSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate (CID 10262119) is [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate is C=C/C=C\OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is YNTDLYYDJSCZLW-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-7-8-14-11(13)12(9(2)3)10(4)5/h6-10H,1H2,2-5H3/b8-7-.
What are the key properties of [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
[(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 197.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-buta-1,3-dienyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10262119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).